Summary

IMPPAT Phytochemical identifier: IMPHY013728

Phytochemical name: Miraxanthin-II

Synonymous chemical names:
miraxanthins ii

External chemical identifiers:
CID:135438592

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Chemical structure information

SMILES:
OC(=O)CC(C(=O)O)/N=C/C=C/1CC(NC(=C1)C(=O)O)C(=O)O

InChI:
InChI=1S/C13H14N2O8/c16-10(17)5-7(11(18)19)14-2-1-6-3-8(12(20)21)15-9(4-6)13(22)23/h1-3,7,9,15H,4-5H2,(H,16,17)(H,18,19)(H,20,21)(H,22,23)/b6-1-,14-2+

InChIKey:
YHGOPYILBIAFGW-HSIFCZRMSA-N

DeepSMILES:
OC=O)CCC=O)O))/N=C/C=CCCNC=C6)C=O)O))))C=O)O

Functional groups:
C/N=C/C=C1/C=C(C(=O)O)NCC1, CC(=O)O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1C=CNCC1

Scaffold Graph/Node level:
CC1CCNCC1

Scaffold Graph level:
CC1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic acids and derivatives

ClassyFire Class: Carboxylic acids and derivatives

ClassyFire Subclass: Amino acids, peptides, and analogues

NP Classifier Biosynthetic pathway: Amino acids and Peptides

NP Classifier Superclass: Small peptides

NP Classifier Class: Aminoacids

NP-Likeness score: 1.789

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Chemical structure download